SCHEMBL9199894

SCHEMBL9199894

CCc1nn(C)c(O)c1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33
ALOX15 P16050 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1496038 0.83 GAA (0.52) GAAGABRPGABRDGABRA1GABRB1
SCHEMBL8304267 0.79 L3MBTL1 (0.44) GAANPC1RAB9AMEN1KMT2A
SCHEMBL2087514 0.75 PKM (0.34) GAAGABRPGABRDGABRA1GABRB1
SCHEMBL29220488 0.74 GAA (0.35) GAAGABRPGABRDGABRA1GABRB1
SCHEMBL20550727 0.72 GAA (0.36) GAAGABRPGABRDGABRA1GABRB1
SCHEMBL23399071 0.71 GAA (0.55) GAA
SCHEMBL31693624 0.71 GAA (0.41) GAA
SCHEMBL20551521 0.70 GAA (0.35) GAAGABRPGABRDGABRA1GABRB1
SCHEMBL20551582 0.70 GABRP (0.38) GAAGABRPGABRDGABRA1GABRB1
SCHEMBL14273421 0.69 GAA (0.48) GAAGABRPGABRDGABRA1GABRB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0087780-B2 Pyrazolesulfonylurea derivative, preparation thereof, herbicide containing said derivative as active ingredient and herbicidal method by use thereof NISSAN CHEMICAL IND LTD (JP) 1995-02-15 EP disclosed
US-4954164-A Pyrazolesulfonylurea derivatives, preparation thereof, herbicide containing said derivative as active ingredient and herbicidal method by use thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1990-09-04 US disclosed